1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one

C15H19NO3 — CID 14845147

IUPAC1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one
SMILESC=C1c2cc(OC)c(OC)cc2CCN1C(=O)CC
InChIInChI=1S/C15H19NO3/c1-5-15(17)16-7-6-11-8-13(18-3)14(19-4)9-12(11)10(16)2/h8-9H,2,5-7H2,1,3-4H3
InChIKeyADTRVJQAQKXLSP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.47
Rot. Bonds3

About 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one

1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one (PubChem CID 14845147) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one
PubChem CID14845147
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one
SMILESC=C1c2cc(OC)c(OC)cc2CCN1C(=O)CC
InChIInChI=1S/C15H19NO3/c1-5-15(17)16-7-6-11-8-13(18-3)14(19-4)9-12(11)10(16)2/h8-9H,2,5-7H2,1,3-4H3
InChIKeyADTRVJQAQKXLSP-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-2-methyl-1-methylidene-3,4-dihydroisoquinoline
CID 11063933
(6-bromo-2,3-dimethoxyphenyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone
CID 10917323
(E)-3-(3-chlorophenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)prop-2-en-1-one
CID 6227120
prop-2-enyl (1Z)-6,7-dimethoxy-1-(2-oxoethylidene)-3,4-dihydroisoquinoline-2-carboxylate
CID 88881323
1-[(1E)-1-[(3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-yl]ethanone
CID 6186038
1-(7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
CID 110672815
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate
CID 153360813
3-amino-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 68532871
8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid
CID 57077858
2-(3-chloropropyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 13327027
2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 43649394

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one?
The IUPAC name of 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one (CID 14845147) is 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one.
What is the SMILES notation for 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one?
The canonical SMILES for 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one is C=C1c2cc(OC)c(OC)cc2CCN1C(=O)CC.
What is the InChIKey of 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one?
The InChIKey is ADTRVJQAQKXLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-5-15(17)16-7-6-11-8-13(18-3)14(19-4)9-12(11)10(16)2/h8-9H,2,5-7H2,1,3-4H3.
What are the key properties of 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one?
1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one has a molecular weight of 261.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one is sourced from PubChem (CID 14845147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).